5,6-bis(4-chlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazin-2-amine

C26H30Cl2N4 — CID 71200235

IUPAC5,6-bis(4-chlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazin-2-amine
SMILESCN1C(C)(C)CC(Nc2cnc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2)CC1(C)C
InChIInChI=1S/C26H30Cl2N4/c1-25(2)14-21(15-26(3,4)32(25)5)30-22-16-29-23(17-6-10-19(27)11-7-17)24(31-22)18-8-12-20(28)13-9-18/h6-13,16,21H,14-15H2,1-5H3,(H,30,31)
InChIKeyHOWXBYVOGRTTBI-UHFFFAOYSA-N
MW469.46 g/mol
LogP7.18
Rot. Bonds4

About 5,6-bis(4-chlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazin-2-amine

5,6-bis(4-chlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazin-2-amine (PubChem CID 71200235) has the molecular formula C26H30Cl2N4 and a molecular weight of 469.46 g/mol. Its IUPAC name is 5,6-bis(4-chlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5,6-bis(4-chlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazin-2-amine
PubChem CID71200235
Molecular FormulaC26H30Cl2N4
Molecular Weight469.46 g/mol
Exact Mass468.18
IUPAC Name5,6-bis(4-chlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazin-2-amine
SMILESCN1C(C)(C)CC(Nc2cnc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2)CC1(C)C
InChIInChI=1S/C26H30Cl2N4/c1-25(2)14-21(15-26(3,4)32(25)5)30-22-16-29-23(17-6-10-19(27)11-7-17)24(31-22)18-8-12-20(28)13-9-18/h6-13,16,21H,14-15H2,1-5H3,(H,30,31)
InChIKeyHOWXBYVOGRTTBI-UHFFFAOYSA-N
XLogP7.18
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.46
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-chlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazin-2-amine?
The IUPAC name of 5,6-bis(4-chlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazin-2-amine (CID 71200235) is 5,6-bis(4-chlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazin-2-amine.
What is the SMILES notation for 5,6-bis(4-chlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazin-2-amine?
The canonical SMILES for 5,6-bis(4-chlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazin-2-amine is CN1C(C)(C)CC(Nc2cnc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2)CC1(C)C.
What is the InChIKey of 5,6-bis(4-chlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazin-2-amine?
The InChIKey is HOWXBYVOGRTTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30Cl2N4/c1-25(2)14-21(15-26(3,4)32(25)5)30-22-16-29-23(17-6-10-19(27)11-7-17)24(31-22)18-8-12-20(28)13-9-18/h6-13,16,21H,14-15H2,1-5H3,(H,30,31).
What are the key properties of 5,6-bis(4-chlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazin-2-amine?
5,6-bis(4-chlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazin-2-amine has a molecular weight of 469.46 g/mol, XLogP of 7.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-chlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazin-2-amine is sourced from PubChem (CID 71200235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).